| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:11 UTC |
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| Update Date | 2025-03-25 00:54:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206227 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14INO4 |
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| Molecular Mass | 350.9968 |
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| SMILES | NC(CCCc1cc(O)c(O)c(I)c1)C(=O)O |
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| InChI Key | KNDLDSJBMUFORZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsaryl iodidescarbocyclic fatty acidscarbonyl compoundscarboxylic acidshalogenated fatty acidshalophenolshydrocarbon derivativeshydroxy fatty acidsiodobenzenesm-iodophenolsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidfatty acidalpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundiodobenzenemedium-chain hydroxy acidorganoiodideorganic oxidephenylbutylamineorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidhalogenated fatty acid3-halophenol2-iodophenol1-hydroxy-4-unsubstituted benzenoidaryl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzene3-iodophenolorganooxygen compound |
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